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2,3-Bis(4-hydroxyphenyl)-propionitrile Structure

2,3-Bis(4-hydroxyphenyl)-propionitrile

Chemical Properties

Melting point 200.0 to 204.0 °C
Boiling point 449.4±35.0 °C(Predicted)
Density  1.256±0.06 g/cm3(Predicted)
RTECS  UG0900000
storage temp.  -20°C
solubility  DMSO: soluble10mg/mL, clear
form  powder
pka 9.41±0.26(Predicted)
color  white to beige
Water Solubility  Soluble in 1eq. NaOH (30 mM), ethanol (100 mM), DMSO (100 mM), DMF (~30 mg/ml), and water (0.5 mg/ml at 25°C).
Stability Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 1 month.
InChI 1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2
InChIKey GHZHWDWADLAOIQ-UHFFFAOYSA-N
SMILES Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1

Safety Information

Hazard Codes  Xi,N
Risk Statements  36-50
Safety Statements  26-61
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
HS Code  2926.90.4801
HazardClass  9
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Eye Irrit. 2

Usage And Synthesis

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